NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5107 8.3649 120.5263 54.4287 42.3192 174.6874 3 C 4.5630 7.9574 117.2560 55.3077 39.6296 172.0877 4 Y 5.0444 9.1511 120.9012 56.3586 42.7701 173.4695 5 C 5.4131 9.2355 120.0440 57.1014 38.8730 173.3442 6 R 4.8077 10.0968 122.9595 54.3446 34.2457 174.1022 7 I 4.9715 8.0114 121.3503 58.7756 40.4597 173.5502 8 P 4.4314 0.0000 0.0000 64.4858 31.9075 175.0004 9 A 4.5336 7.2875 119.7503 51.1796 21.9130 175.9824 10 C 4.4513 8.4872 116.6581 57.1030 36.6026 174.5219 11 I 3.9879 8.0992 124.0938 60.4423 37.4626 175.5392 12 A 3.9106 8.2764 125.2810 54.0009 18.4535 178.1026 13 G 3.9328 9.0875 110.3130 45.6179 0.0000 172.6595 14 E 4.9468 7.7126 117.4880 54.2262 33.2303 175.3075 15 R 4.5999 8.5991 118.5793 54.2832 34.6651 174.7175 16 R 4.6615 8.2389 122.2952 56.2121 30.2739 175.4165 17 Y 4.6618 8.5787 123.4734 57.7802 39.7429 176.0389 18 G 4.2923 7.5082 104.5907 46.7627 0.0000 172.2135 19 T 5.4252 8.7296 115.4548 62.1878 72.9641 174.1665 20 C 4.9787 9.5534 122.7000 55.2757 43.0892 172.7836 21 I 4.7119 8.2853 124.4245 59.6081 38.8500 174.7384 22 Y 4.2854 8.2319 127.9641 57.2021 41.9391 174.9176 23 Q 2.7795 9.0942 127.2480 56.8310 26.0717 175.0827 24 G 3.8340 7.6130 103.0299 45.6967 0.0000 172.9318 25 R 4.3918 7.7771 119.4472 54.5242 31.7314 175.0254 26 L 4.8914 8.2013 120.7281 52.9666 43.6477 175.9128 27 W 5.3083 9.2107 124.1076 54.7368 32.1633 175.4569 28 A 4.5313 8.8371 124.8518 52.0401 19.3976 176.4149 29 F 5.4919 9.3028 125.4960 57.1914 40.9797 173.7267 30 C 5.4583 9.0505 124.6680 55.2267 43.4881 173.8596 31 C 4.5576 9.4208 119.9301 57.0675 41.6060 173.9331 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.36 4.51 0.00 2.89 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 7.96 4.56 0.00 2.56 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 9.15 5.04 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 9.24 5.41 0.00 3.08 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 10.10 4.81 0.00 1.55 1.82 0.00 3.20 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 7 I 8.01 4.97 1.52 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.25 0.56 0.00 0.00 8 P 0.00 4.43 0.00 2.24 2.18 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 9 A 7.29 4.53 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.49 4.45 0.00 2.95 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.10 3.99 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.90 0.00 0.00 12 A 8.28 3.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.71 4.95 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 15 R 8.60 4.60 0.00 1.25 1.14 0.00 3.27 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 16 R 8.24 4.66 0.00 1.77 1.76 0.00 3.20 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 17 Y 8.58 4.66 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.51 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.73 5.43 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 20 C 9.55 4.98 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.29 4.71 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 0.78 0.00 0.00 22 Y 8.23 4.29 0.00 2.64 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 9.09 2.78 0.00 1.31 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 1.16 1.41 0.00 24 G 7.61 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.78 4.39 0.00 1.53 1.63 0.00 3.31 0.00 0.00 3.49 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 26 L 8.20 4.89 0.00 1.50 1.58 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 W 9.21 5.31 0.00 3.42 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.84 4.53 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 9.30 5.49 0.00 3.16 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 9.05 5.46 0.00 2.93 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 9.42 4.56 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00